2-butoxy-N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-butoxy-N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-butoxy-N-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide CAS Name: 2-butoxy-N-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-butoxy-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide Traditional Name: 2-butoxy-N-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]thiocarbamoyl]benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

InChI

InChI=1S/C22H26N4O5S/c1-2-3-10-31-18-9-5-4-8-17(18)21(29)23-22(32)25-24-20(28)15-12-19(27)26(13-15)14-16-7-6-11-30-16/h4-9,11,15H,2-3,10,12-14H2,1H3,(H,24,28)(H2,23,25,29,32)